pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.619	IUPAC digitized pKa	0	-1	O=C(O)[C@]12CC[C@](Br)(CC1)CC2	O=C([O-])[C@]12CC[C@](Br)(CC1)CC2	mol11083	O=C(O)C12CCC(Br)(CC1)CC2
6.07999992370606	QSARToolbox	0	-1	O=C(O)[C@]12CC[C@](Br)(CC1)CC2	O=C([O-])[C@]12CC[C@](Br)(CC1)CC2	mol11083	O=C(O)C12CCC(Br)(CC1)CC2
4.62	AttenGpKa training set	0	-1	O=C(O)[C@]12CC[C@](Br)(CC1)CC2	O=C([O-])[C@]12CC[C@](Br)(CC1)CC2	mol11083	O=C(O)C12CCC(Br)(CC1)CC2